1,1,1,4,5,5,5-heptafluoro-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene

C34H57F11O13 — CID 158387319

About 1,1,1,4,5,5,5-heptafluoro-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene

1,1,1,4,5,5,5-heptafluoro-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene (PubChem CID 158387319) has the molecular formula C34H57F11O13 and a molecular weight of 882.79 g/mol. Its IUPAC name is 1,1,1,4,5,5,5-heptafluoro-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene.

Molecular Properties

• Compound Name: 1,1,1,4,5,5,5-heptafluoro-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene
• PubChem CID: 158387319
• Molecular Formula: C34H57F11O13
• Molecular Weight: 882.79 g/mol
• Exact Mass: 882.36
• IUPAC Name: 1,1,1,4,5,5,5-heptafluoro-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene
• SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C34H57F11O13/c1-30(35,33(40,41)42)28(31(2,36)34(43,44)45)29(32(37,38)39)58-27-26-57-25-24-56-23-22-55-21-20-54-19-18-53-17-16-52-15-14-51-13-12-50-11-10-49-9-8-48-7-6-47-5-4-46-3/h4-27H2,1-3H3
• InChIKey: GWNGUEWFKHIRMF-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 119.99 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 39
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	882.79
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,5,5,5-heptafluoro-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene?

The IUPAC name of 1,1,1,4,5,5,5-heptafluoro-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene (CID 158387319) is 1,1,1,4,5,5,5-heptafluoro-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene.

What is the SMILES notation for 1,1,1,4,5,5,5-heptafluoro-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene?

The canonical SMILES for 1,1,1,4,5,5,5-heptafluoro-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene is COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC(=C(C(C)(F)C(F)(F)F)C(C)(F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 1,1,1,4,5,5,5-heptafluoro-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene?

The InChIKey is GWNGUEWFKHIRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H57F11O13/c1-30(35,33(40,41)42)28(31(2,36)34(43,44)45)29(32(37,38)39)58-27-26-57-25-24-56-23-22-55-21-20-54-19-18-53-17-16-52-15-14-51-13-12-50-11-10-49-9-8-48-7-6-47-5-4-46-3/h4-27H2,1-3H3.

What are the key properties of 1,1,1,4,5,5,5-heptafluoro-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene?

1,1,1,4,5,5,5-heptafluoro-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene has a molecular weight of 882.79 g/mol, XLogP of 5.23, 39 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,4,5,5,5-heptafluoro-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-methyl-3-(1,1,1,2-tetrafluoropropan-2-yl)pent-2-ene is sourced from PubChem (CID 158387319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).